dockonsurf / tests / acetic.mol @ 96d422c7
Historique | Voir | Annoter | Télécharger (786 octet)
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OpenBabel04142018553D |
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| 4 |
8 7 0 0 0 0 0 0 0 0999 V2000 |
| 5 |
-0.5781 0.8333 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6 |
-0.4255 -0.6332 -0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7 |
0.4094 -1.0380 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8 |
-0.2214 -0.8583 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9 |
-1.3314 -1.1717 0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10 |
-1.1833 1.4984 -0.6683 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11 |
-0.0740 1.2885 1.3872 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12 |
-0.2817 2.2374 1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13 |
1 7 1 0 0 0 0 |
| 14 |
2 1 1 0 0 0 0 |
| 15 |
2 5 1 0 0 0 0 |
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2 3 1 0 0 0 0 |
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4 2 1 0 0 0 0 |
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6 1 2 0 0 0 0 |
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7 8 1 0 0 0 0 |
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M END |